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{
"id": "jvasp-54453",
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"structure_string": "V1 Cu1 O3\n1.0\n-3.187718 0.027880 -0.055206\n-0.038687 -4.461988 -0.162796\n1.512911 1.961923 5.046861\nV Cu O\n1 1 3\ndirect\n0.725772 0.337277 0.103247 V\n0.403862 0.006974 0.461954 Cu\n0.854912 0.208290 0.362872 O\n0.581543 0.003727 0.812545 O\n0.242512 0.558032 0.137279 O\n",
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{
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"structure_string": "In1 Br1 O1\n1.0\n6.235585 0.152923 0.000000\n0.123180 3.561230 0.000000\n0.000000 0.000000 4.114928\nIn Br O\n1 1 1\ndirect\n-0.131268 -0.140714 0.000000 In\n0.475407 0.028365 0.000000 Br\n0.019768 0.348042 0.000000 O\n",
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{
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"formula_full": "Ba1 Na2 Mg1 P2 O8",
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{
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"updated_at": "2022-09-04T14:36:20.009570Z",
"structure_string": "K6 Sm2 P4 O16\n1.0\n5.645358 0.000000 0.000000\n0.000000 7.392253 -0.103147\n0.000000 0.013352 9.502261\nK Sm P O\n6 2 4 16\ndirect\n0.250000 0.800324 0.917787 K\n0.750000 0.199676 0.082213 K\n0.750000 0.634596 0.408255 K\n0.250000 0.365403 0.591745 K\n0.750000 0.493047 0.808845 K\n0.250000 0.506953 0.191155 K\n0.750000 0.993148 0.708625 Sm\n0.250000 0.006851 0.291375 Sm\n0.250000 0.806048 0.574258 P\n0.250000 0.234785 0.912597 P\n0.750000 0.765214 0.087403 P\n0.750000 0.193951 0.425741 P\n0.025872 0.154781 0.838394 O\n0.250000 0.441430 0.898974 O\n0.750000 0.558569 0.101025 O\n0.474925 0.749277 0.657392 O\n0.974925 0.250723 0.342608 O\n0.525075 0.250723 0.342608 O\n0.025075 0.749277 0.657392 O\n0.250000 0.013305 0.550471 O\n0.750000 0.986695 0.449528 O\n0.250000 0.715112 0.425163 O\n0.750000 0.284887 0.574837 O\n0.525872 0.845218 0.161605 O\n0.974128 0.845218 0.161605 O\n0.474128 0.154781 0.838394 O\n0.250000 0.176196 0.069487 O\n0.750000 0.823803 0.930513 O\n",
"nsites": 28,
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"formula_full": "K6 Sm2 P4 O16",
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{
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"created_at": "2022-09-04T14:38:52.338724Z",
"updated_at": "2022-09-04T14:38:52.338751Z",
"structure_string": "Cr3 Co1 P4 O16\n1.0\n5.640612 -0.000000 0.000000\n0.000000 4.698160 0.036831\n-0.000000 -0.000132 9.726031\nCr Co P O\n3 1 4 16\ndirect\n-0.000000 0.446785 0.770181 Cr\n0.500000 0.556491 0.230539 Cr\n0.500000 0.946045 0.732352 Cr\n-0.000000 0.058034 0.268833 Co\n0.500000 0.123114 0.411992 P\n0.500000 0.382103 0.915269 P\n-0.000000 0.608489 0.085617 P\n-0.000000 0.887297 0.587272 P\n0.787813 0.731537 0.666894 O\n0.500000 0.804531 0.385479 O\n0.500000 0.701981 0.891337 O\n0.216289 0.754118 0.161892 O\n0.783711 0.754118 0.161892 O\n-0.000000 0.684568 0.932677 O\n0.500000 0.312388 0.067990 O\n-0.000000 0.206107 0.612060 O\n0.288442 0.228929 0.836099 O\n-0.000000 0.287581 0.105427 O\n0.212187 0.731537 0.666894 O\n0.710022 0.282622 0.335765 O\n0.289978 0.282622 0.335765 O\n0.500000 0.178713 0.566031 O\n0.711557 0.228929 0.836099 O\n-0.000000 0.821366 0.435645 O\n",
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"formula_full": "Cr3 Co1 P4 O16",
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{
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"created_at": "2022-09-04T14:36:39.719934Z",
"updated_at": "2022-09-04T14:36:39.719964Z",
"structure_string": "Ca1 Pd1 F6\n1.0\n4.627286 0.027968 3.408276\n1.738001 4.288579 3.408276\n0.041244 0.027969 5.746862\nCa Pd F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Pd\n0.389616 0.059172 0.782424 F\n0.059171 0.782424 0.389617 F\n0.217575 0.610384 0.940829 F\n0.940828 0.217577 0.610384 F\n0.610384 0.940829 0.217577 F\n0.782424 0.389617 0.059172 F\n",
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"volume": 112.88980892740128,
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"formula_full": "Ca1 Pd1 F6",
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"formula_anonymous": "ABC6",
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"spacegroup": 148
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{
"id": "jvasp-36375",
"created_at": "2022-09-04T14:37:14.292514Z",
"updated_at": "2022-09-04T14:37:14.292538Z",
"structure_string": "Ca1 C2\n1.0\n1.382678 -2.394868 -0.000000\n1.382678 2.394868 0.000000\n0.000000 -0.000000 4.194984\nCa C\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333334 0.666668 0.500000 C\n0.666668 0.333334 0.500000 C\n",
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{
"id": "jvasp-105583",
"created_at": "2022-09-04T14:36:47.116737Z",
"updated_at": "2022-09-04T14:36:47.116756Z",
"structure_string": "Ti1 O2\n1.0\n2.748918 -0.072228 3.908126\n1.183962 2.481935 3.908126\n-0.117884 -0.072228 4.776620\nTi O\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.261319 0.261317 0.261319 O\n0.738684 0.738680 0.738683 O\n",
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{
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"created_at": "2022-09-04T14:37:01.290268Z",
"updated_at": "2022-09-04T14:37:01.290299Z",
"structure_string": "Li2 Mn2 Si2 O8\n1.0\n-4.316848 3.932867 0.090502\n4.316848 0.090502 3.932867\n4.316848 3.932867 0.090502\nLi Mn Si O\n2 2 2 8\ndirect\n0.991897 -0.000001 0.008104 Li\n0.258103 0.500000 0.241897 Li\n0.625000 0.249999 0.625001 Mn\n0.125000 0.750000 0.625000 Mn\n0.625000 0.250000 0.125000 Si\n0.625000 0.750000 0.625001 Si\n0.838297 0.211121 0.372825 O\n0.838149 0.736387 0.425465 O\n0.411852 0.236386 0.351761 O\n0.838149 0.263613 0.898240 O\n0.411703 0.288878 0.877176 O\n0.833947 0.711121 0.877176 O\n0.416053 0.788879 0.372825 O\n0.411851 0.763613 0.824536 O\n",
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"structure_string": "Mn1 H2 O2\n1.0\n3.307536 0.000027 0.000331\n-1.653745 2.864370 0.000000\n0.000394 0.000227 4.069971\nMn H O\n1 2 2\ndirect\n0.000017 0.000010 0.968181 Mn\n0.666663 0.333331 0.035973 H\n0.333285 0.666644 0.436814 H\n0.666736 0.333369 0.786098 O\n0.333305 0.666653 0.195409 O\n",
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{
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"structure_string": "Li2 Fe4 O2 F10\n1.0\n0.000000 4.671191 0.010836\n4.670048 0.000000 0.000000\n0.000000 -4.668591 -9.136962\nLi Fe O F\n2 4 2 10\ndirect\n0.005607 0.252419 0.999516 Li\n0.005607 0.747581 0.499516 Li\n0.688081 0.243466 0.678343 Fe\n0.313967 0.227172 0.334250 Fe\n0.688081 0.756534 0.178343 Fe\n0.313967 0.772829 0.834250 Fe\n0.025630 0.051104 0.821835 O\n0.025630 0.948896 0.321835 O\n0.969267 0.446665 0.166869 F\n0.969267 0.553335 0.666869 F\n0.617977 0.536383 0.326902 F\n0.315049 0.561919 0.003941 F\n0.367176 0.049790 0.167309 F\n0.697241 0.947149 0.001034 F\n0.697241 0.052851 0.501034 F\n0.315049 0.438082 0.503941 F\n0.367176 0.950210 0.667309 F\n0.617977 0.463617 0.826901 F\n",
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]
}